#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuy n SER 2 N 0.00 -7.73 -3.47 1.61 2.88 -1.26 -5.05 113.62 100.60 2yuy n SER 2 Ca 0.00 0.47 -0.03 0.00 -1.33 0.00 0.00 58.87 57.98 2yuy n SER 2 Cb 0.00 -5.24 -0.05 0.00 -0.75 0.00 0.00 64.21 58.17 2yuy n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuy s SER 3 N -2.58 -0.77 -0.10 -3.46 0.01 -1.26 -5.15 113.70 100.40 2yuy s SER 3 Ca 0.22 1.02 0.01 0.00 1.31 0.00 0.00 55.95 58.52 2yuy s SER 3 Cb -0.06 1.84 0.02 0.00 0.21 0.00 0.00 66.02 68.03 2yuy s SER 3 CO 0.74 -0.25 -0.12 -0.83 0.41 0.00 0.00 173.24 173.19 2yuy s GLY 4 N 2.76 0.92 -0.73 3.44 0.00 -1.26 -4.82 107.32 107.63 2yuy s GLY 4 Ca 0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 44.72 44.10 2yuy s GLY 4 CO -0.18 0.35 0.60 -0.45 0.00 0.00 0.00 173.10 173.42 2yuy s SER 5 N 1.09 5.89 0.20 1.64 0.15 -1.26 -4.94 113.70 116.46 2yuy s SER 5 Ca -0.06 -2.86 -0.24 0.00 0.70 0.00 0.00 55.95 53.49 2yuy s SER 5 Cb -0.14 -2.00 0.10 0.00 -1.71 0.00 0.00 66.02 62.26 2yuy s SER 5 CO -0.02 -0.43 1.55 0.28 1.20 0.00 0.00 173.24 175.82 2yuy h SER 6 N 7.24 -1.70 -3.31 5.45 0.02 -1.98 -3.36 113.55 115.91 2yuy h SER 6 Ca 0.05 0.31 -0.58 0.00 -0.84 0.00 0.00 61.79 60.72 2yuy h SER 6 Cb 0.98 0.82 -0.07 0.00 0.14 0.00 0.00 62.40 64.26 2yuy h SER 6 CO 0.74 -0.28 0.37 -0.83 -1.14 0.00 0.00 176.83 175.69 2yuy s GLY 7 N -3.06 2.09 0.00 -3.77 0.00 -1.26 -4.83 107.32 96.49 2yuy s GLY 7 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 44.72 44.59 2yuy s GLY 7 CO 0.67 1.64 0.00 0.61 0.00 0.00 0.00 173.10 176.02 2yuy n GLY 8 N 3.50 0.49 3.72 0.20 0.00 -1.26 -4.98 105.19 106.86 2yuy n GLY 8 Ca 0.04 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 2yuy n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuy s PRO 9 N 0.00 4.48 -0.04 1.61 0.04 -1.26 -4.94 135.00 134.90 2yuy s PRO 9 Ca 0.00 1.73 -0.16 0.00 0.04 0.00 0.00 61.00 62.61 2yuy s PRO 9 Cb 0.00 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.15 2yuy s PRO 9 CO 0.00 -0.15 0.44 -1.59 0.04 0.00 0.00 177.00 175.74 2yuy s LYS 10 N 0.65 4.10 0.04 4.56 -2.85 -1.22 -4.50 119.74 120.52 2yuy s LYS 10 Ca 0.56 0.44 0.06 0.00 -1.00 0.00 0.00 55.97 56.02 2yuy s LYS 10 Cb -0.29 -3.30 -0.03 0.00 -2.06 0.00 0.00 37.83 32.15 2yuy s LYS 10 CO 0.31 0.49 -0.12 0.99 0.10 0.00 0.00 175.35 177.12 2yuy s THR 11 N -0.45 3.26 -0.06 3.79 2.01 -1.26 -1.95 115.64 120.97 2yuy s THR 11 Ca 0.24 -1.04 -0.02 0.00 0.31 0.00 0.00 61.69 61.19 2yuy s THR 11 Cb -0.16 -2.43 0.03 0.00 0.01 0.00 0.00 72.50 69.95 2yuy s THR 11 CO 0.12 0.31 0.03 0.68 -0.69 0.00 0.00 174.62 175.07 2yuy s VAL 12 N -1.02 0.16 0.03 3.82 -7.23 0.25 -4.96 120.40 111.46 2yuy s VAL 12 Ca 0.17 0.25 -0.17 0.00 -1.81 0.00 0.00 61.98 60.42 2yuy s VAL 12 Cb -0.11 -0.37 -0.06 0.00 0.56 0.00 0.00 36.38 36.40 2yuy s VAL 12 CO 0.08 0.22 0.48 -0.89 -0.31 0.00 0.00 175.10 174.68 2yuy s THR 13 N 2.06 4.91 0.29 5.32 2.01 -1.26 0.99 115.64 129.96 2yuy s THR 13 Ca 0.05 1.01 0.08 0.00 0.31 0.00 0.00 61.69 63.13 2yuy s THR 13 Cb -0.12 -3.80 -0.06 0.00 0.01 0.00 0.00 72.50 68.53 2yuy s THR 13 CO -0.04 0.56 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.61 2yuy s LEU 14 N -1.04 2.55 -0.16 4.42 1.02 0.41 -4.34 118.68 121.54 2yuy s LEU 14 Ca 0.26 -1.17 -0.02 0.00 0.02 0.00 0.00 54.13 53.22 2yuy s LEU 14 Cb -0.18 -0.75 0.05 0.00 0.02 0.00 0.00 46.19 45.33 2yuy s LEU 14 CO 0.16 -0.28 0.01 -0.54 0.02 0.00 0.00 176.35 175.72 2yuy s LYS 15 N -3.68 0.78 -0.03 1.70 1.02 -1.26 0.09 119.74 118.36 2yuy s LYS 15 Ca 0.30 -0.31 -0.35 0.00 0.02 0.00 0.00 55.97 55.62 2yuy s LYS 15 Cb 0.03 -1.82 -0.13 0.00 -0.52 0.00 0.00 37.83 35.38 2yuy s LYS 15 CO 0.13 -0.52 1.73 -2.13 -0.92 0.00 0.00 175.35 173.63 2yuy n ARG 16 N 5.04 1.93 -0.06 1.68 0.63 0.15 -4.67 116.66 121.36 2yuy n ARG 16 Ca -0.09 0.70 -0.04 0.00 -0.92 0.00 0.00 57.85 57.50 2yuy n ARG 16 Cb 0.48 -2.49 -0.11 0.00 0.45 0.00 0.00 32.46 30.79 2yuy n ARG 16 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 2yuy n THR 17 N 4.36 0.80 -0.80 5.15 -2.24 -1.26 -4.98 114.28 115.31 2yuy n THR 17 Ca 0.21 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.43 2yuy n THR 17 Cb 0.26 -0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2yuy n THR 17 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2yuy n SER 18 N -2.44 0.00 -4.52 3.42 7.64 -1.26 -5.10 113.62 111.36 2yuy n SER 18 Ca -0.20 0.00 -0.63 0.00 1.01 0.00 0.00 58.87 59.06 2yuy n SER 18 Cb 0.86 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.96 2yuy n SER 18 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2yuy n GLN 19 N -0.18 0.16 -1.51 1.43 6.02 -1.26 -3.80 117.38 118.24 2yuy n GLN 19 Ca 0.00 0.05 -0.01 0.00 -0.01 0.00 0.00 57.00 57.04 2yuy n GLN 19 Cb 0.00 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.65 2yuy n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2yuy n GLY 20 N 5.65 -3.51 3.44 1.08 0.00 -1.26 -4.98 105.19 105.61 2yuy n GLY 20 Ca 0.41 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 2yuy n GLY 20 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2yuy n PHE 21 N 0.41 -1.21 0.00 1.61 3.01 -1.25 -4.90 117.46 115.14 2yuy n PHE 21 Ca -0.05 0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.67 2yuy n PHE 21 Cb 0.07 -1.82 0.00 0.00 -0.01 0.00 0.00 39.48 37.72 2yuy n PHE 21 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2yuy n GLY 22 N 1.44 0.00 3.10 1.37 0.00 -1.26 -4.58 105.19 105.26 2yuy n GLY 22 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2yuy n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2yuy n PHE 23 N 0.00 -1.92 -4.11 1.61 -1.74 -1.26 -4.58 117.46 105.45 2yuy n PHE 23 Ca 0.00 0.40 -0.09 0.00 -0.56 0.00 0.00 57.45 57.20 2yuy n PHE 23 Cb 0.00 -1.46 -0.09 0.00 1.52 0.00 0.00 39.48 39.45 2yuy n PHE 23 CO 0.00 0.00 0.00 -0.08 -0.56 0.00 0.00 176.76 176.12 2yuy s THR 24 N -2.09 0.10 0.35 1.97 -1.32 -1.19 -4.98 115.64 108.50 2yuy s THR 24 Ca 0.43 -1.80 0.08 0.00 -1.21 0.00 0.00 61.69 59.19 2yuy s THR 24 Cb -0.01 -1.97 -0.04 0.00 -1.51 0.00 0.00 72.50 68.97 2yuy s THR 24 CO 0.69 -0.47 0.18 -0.76 -2.21 0.00 0.00 174.62 172.06 2yuy s LEU 25 N -3.02 3.29 0.06 9.08 2.01 -1.26 -1.59 118.68 127.25 2yuy s LEU 25 Ca 0.22 -0.77 -0.14 0.00 0.01 0.00 0.00 54.13 53.44 2yuy s LEU 25 Cb 0.07 -1.78 0.02 0.00 0.01 0.00 0.00 46.19 44.51 2yuy s LEU 25 CO 0.01 -0.37 0.33 -0.60 1.01 0.00 0.00 176.35 176.73 2yuy s ARG 26 N -3.89 0.88 0.04 1.70 3.52 -1.13 -4.69 118.95 115.37 2yuy s ARG 26 Ca 0.39 -0.56 0.00 0.00 -0.13 0.00 0.00 55.73 55.44 2yuy s ARG 26 Cb -0.02 0.38 0.00 0.00 -1.56 0.00 0.00 34.95 33.75 2yuy s ARG 26 CO 0.24 -0.30 0.00 0.72 -0.81 0.00 0.00 175.30 175.15 2yuy n HIS 27 N 0.37 -3.10 -3.74 5.12 8.25 -1.26 -4.29 115.22 116.56 2yuy n HIS 27 Ca -0.18 1.85 -0.08 0.00 -0.26 0.00 0.00 57.72 59.06 2yuy n HIS 27 Cb 0.60 -3.16 -0.02 0.00 1.12 0.00 0.00 29.99 28.53 2yuy n HIS 27 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2yuy s PHE 28 N -0.37 -0.27 0.30 4.41 -0.71 -1.26 -4.86 117.98 115.22 2yuy s PHE 28 Ca 0.00 -0.12 0.05 0.00 -1.04 0.00 0.00 56.93 55.82 2yuy s PHE 28 Cb 0.00 0.67 -0.06 0.00 -1.21 0.00 0.00 43.02 42.42 2yuy s PHE 28 CO 0.00 -1.11 0.02 0.96 -1.34 0.00 0.00 175.22 173.75 2yuy s ILE 29 N -3.82 1.30 -0.06 -4.49 -0.00 -1.26 -5.11 121.20 107.77 2yuy s ILE 29 Ca 0.09 -2.04 -0.04 0.00 -0.00 0.00 0.00 60.65 58.66 2yuy s ILE 29 Cb -0.04 -2.64 0.02 0.00 -0.00 0.00 0.00 42.46 39.79 2yuy s ILE 29 CO 0.02 -0.13 0.14 -0.69 -0.00 0.00 0.00 174.94 174.28 2yuy s VAL 30 N -3.23 -0.01 -0.50 8.37 1.01 -1.26 -4.79 120.40 120.00 2yuy s VAL 30 Ca 0.33 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.42 2yuy s VAL 30 Cb 0.07 -0.21 0.21 0.00 0.00 0.00 0.00 36.38 36.45 2yuy s VAL 30 CO 0.14 0.02 0.77 -1.22 0.00 0.00 0.00 175.10 174.81 2yuy n TYR 31 N 3.31 -3.32 -1.55 5.22 4.02 -1.26 -5.12 117.16 118.45 2yuy n TYR 31 Ca -0.16 -1.73 -0.29 0.00 -0.01 0.00 0.00 57.90 55.70 2yuy n TYR 31 Cb 0.57 1.38 0.11 0.00 -0.02 0.00 0.00 39.34 41.38 2yuy n TYR 31 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2yuy s PRO 32 N 0.66 1.65 0.82 -0.72 0.04 -1.26 -5.05 135.00 131.14 2yuy s PRO 32 Ca 0.31 0.47 -0.12 0.00 0.04 0.00 0.00 61.00 61.70 2yuy s PRO 32 Cb 0.11 -1.88 0.08 0.00 0.04 0.00 0.00 34.50 32.85 2yuy s PRO 32 CO -0.15 -1.89 1.11 -1.25 0.04 0.00 0.00 177.00 174.86 2yuy s PRO 33 N -5.22 1.88 0.02 0.56 0.04 -1.26 -5.02 135.00 125.99 2yuy s PRO 33 Ca 0.62 0.55 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 2yuy s PRO 33 Cb -0.14 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2yuy s PRO 33 CO 0.54 -1.75 0.71 -1.21 0.04 0.00 0.00 177.00 175.33 2yuy s GLU 34 N -5.19 4.44 0.00 4.56 0.41 -1.26 -4.40 118.70 117.26 2yuy s GLU 34 Ca 0.61 0.96 0.00 0.00 -0.41 0.00 0.00 54.97 56.13 2yuy s GLU 34 Cb -0.14 -3.37 0.00 0.00 -1.78 0.00 0.00 34.13 28.84 2yuy s GLU 34 CO 0.54 0.29 0.00 0.45 -0.49 0.00 0.00 175.26 176.04 2yuy n SER 35 N 2.88 0.00 -4.60 -0.19 2.88 -1.26 -4.86 113.62 108.47 2yuy n SER 35 Ca -0.04 0.00 -0.61 0.00 -1.33 0.00 0.00 58.87 56.90 2yuy n SER 35 Cb 0.51 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.88 2yuy n SER 35 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2yuy n ALA 36 N 0.00 -2.37 -1.77 -1.46 0.00 -1.26 -4.85 120.51 108.80 2yuy n ALA 36 Ca 0.00 0.54 -0.37 0.00 0.00 0.00 0.00 53.44 53.61 2yuy n ALA 36 Cb 0.00 -1.88 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 2yuy n ALA 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2yuy s ILE 37 N 1.23 3.20 -0.52 0.00 1.09 -1.26 -4.62 121.20 120.32 2yuy s ILE 37 Ca 0.95 0.89 0.07 0.00 -1.10 0.00 0.00 60.65 61.47 2yuy s ILE 37 Cb -1.28 -3.45 0.32 0.00 -1.06 0.00 0.00 42.46 36.98 2yuy s ILE 37 CO 0.64 -0.02 0.81 0.00 -0.10 0.00 0.00 174.94 176.27 2yuy n GLN 38 N -0.46 2.24 -4.22 2.79 10.64 -1.26 -5.01 117.38 122.10 2yuy n GLN 38 Ca 0.07 -4.27 -0.13 0.00 -1.83 0.00 0.00 57.00 50.85 2yuy n GLN 38 Cb 0.48 -1.99 -0.10 0.00 -0.86 0.00 0.00 30.24 27.77 2yuy n GLN 38 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 2yuy s PHE 39 N -2.76 1.13 0.00 2.61 0.40 -1.26 -5.13 117.98 112.97 2yuy s PHE 39 Ca 0.43 -0.98 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 2yuy s PHE 39 Cb 0.26 -0.64 0.00 0.00 0.51 0.00 0.00 43.02 43.15 2yuy s PHE 39 CO -0.10 -0.18 0.00 0.45 0.70 0.00 0.00 175.22 176.09 2yuy n SER 40 N -0.19 0.00 -3.93 1.36 2.88 -1.26 -5.15 113.62 107.33 2yuy n SER 40 Ca -0.08 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.19 2yuy n SER 40 Cb 0.62 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.92 2yuy n SER 40 CO 0.00 0.00 0.00 -0.47 -1.23 0.00 0.00 175.04 173.34 2yuy s TYR 41 N 0.00 1.54 0.50 0.66 6.14 -1.26 -5.04 117.35 119.88 2yuy s TYR 41 Ca 0.00 -0.76 0.00 0.00 0.64 0.00 0.00 57.07 56.95 2yuy s TYR 41 Cb 0.00 -1.24 0.00 0.00 0.42 0.00 0.00 41.96 41.14 2yuy s TYR 41 CO 0.00 -0.50 0.00 1.17 0.64 0.00 0.00 175.55 176.86 2yuy n LYS 42 N 4.81 -4.46 0.03 4.97 4.81 -1.26 -5.05 118.16 122.02 2yuy n LYS 42 Ca -0.14 3.31 0.00 0.00 -0.87 0.00 0.00 58.31 60.61 2yuy n LYS 42 Cb 0.50 -3.72 0.00 0.00 0.02 0.00 0.00 35.03 31.83 2yuy n LYS 42 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2yuy n ASP 43 N -0.77 -0.47 -0.92 3.14 2.03 -1.26 -5.17 116.55 113.13 2yuy n ASP 43 Ca 0.00 0.23 0.11 0.00 0.52 0.00 0.00 54.79 55.65 2yuy n ASP 43 Cb 0.00 0.66 -0.03 0.00 -0.72 0.00 0.00 41.12 41.02 2yuy n ASP 43 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2yuy n GLU 44 N -2.51 -1.73 -1.60 -0.67 0.28 -1.26 -4.98 120.64 108.17 2yuy n GLU 44 Ca 0.00 1.21 0.01 0.00 -0.16 0.00 0.00 57.16 58.22 2yuy n GLU 44 Cb 0.00 -2.18 -0.01 0.00 1.43 0.00 0.00 31.44 30.68 2yuy n GLU 44 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2yuy n GLU 45 N -2.93 -4.12 -1.39 3.44 1.02 -1.26 -4.97 120.64 110.43 2yuy n GLU 45 Ca -0.01 3.21 0.17 0.00 -0.02 0.00 0.00 57.16 60.51 2yuy n GLU 45 Cb 0.60 -4.06 -0.08 0.00 -0.02 0.00 0.00 31.44 27.88 2yuy n GLU 45 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2yuy n ASN 46 N -2.77 -7.55 0.00 1.62 4.13 -1.26 -5.06 115.26 104.38 2yuy n ASN 46 Ca -0.01 1.20 0.00 0.00 1.68 0.00 0.00 54.58 57.46 2yuy n ASN 46 Cb 0.51 -4.65 0.00 0.00 -1.54 0.00 0.00 39.78 34.10 2yuy n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yuy n GLY 47 N -4.22 1.81 0.00 7.41 0.00 -1.26 -5.18 105.19 103.76 2yuy n GLY 47 Ca -0.07 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2yuy n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2yuy n ASN 48 N 0.00 0.00 -4.31 1.61 5.15 -1.26 -5.18 115.26 111.27 2yuy n ASN 48 Ca 0.00 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.82 2yuy n ASN 48 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2yuy n ASN 48 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yuy s ARG 49 N 0.00 1.23 -0.34 1.20 1.70 -1.26 -5.09 118.95 116.38 2yuy s ARG 49 Ca 0.00 -1.56 -0.01 0.00 -0.47 0.00 0.00 55.73 53.69 2yuy s ARG 49 Cb 0.00 -0.78 0.28 0.00 -0.57 0.00 0.00 34.95 33.88 2yuy s ARG 49 CO 0.00 0.06 1.23 0.41 -1.08 0.00 0.00 175.30 175.92 2yuy n GLY 50 N -0.32 -1.54 0.00 3.88 0.00 -1.26 -5.16 105.19 100.79 2yuy n GLY 50 Ca -0.08 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2yuy n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 51 N 1.37 5.35 3.63 -0.02 0.00 -1.26 -5.18 105.19 109.08 2yuy n GLY 51 Ca 0.01 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.57 2yuy n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuy s LYS 52 N 3.29 0.56 0.22 1.61 -2.85 -1.26 -5.18 119.74 116.12 2yuy s LYS 52 Ca 0.00 0.59 0.10 0.00 -1.00 0.00 0.00 55.97 55.66 2yuy s LYS 52 Cb 0.00 0.27 -0.04 0.00 -2.06 0.00 0.00 37.83 36.00 2yuy s LYS 52 CO 0.00 -0.08 -0.13 -0.65 0.10 0.00 0.00 175.35 174.58 2yuy s GLN 53 N 0.08 1.90 -0.35 1.78 -0.21 -1.26 -5.11 119.66 116.49 2yuy s GLN 53 Ca 0.02 -1.44 0.01 0.00 0.02 0.00 0.00 55.36 53.97 2yuy s GLN 53 Cb -0.04 -2.01 0.11 0.00 1.00 0.00 0.00 33.01 32.06 2yuy s GLN 53 CO -0.04 0.40 0.12 1.03 -2.12 0.00 0.00 175.29 174.67 2yuy s ARG 54 N -3.05 1.09 0.00 2.91 1.81 -1.26 -5.07 118.95 115.38 2yuy s ARG 54 Ca 0.26 -1.55 0.00 0.00 -1.72 0.00 0.00 55.73 52.72 2yuy s ARG 54 Cb -0.07 -2.45 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 2yuy s ARG 54 CO 0.15 -1.01 0.00 0.27 -0.68 0.00 0.00 175.30 174.02 2yuy n ASN 55 N 4.35 0.00 -1.45 0.23 6.94 -1.26 -5.07 115.26 119.00 2yuy n ASN 55 Ca 0.02 0.00 -0.03 0.00 -0.02 0.00 0.00 54.58 54.55 2yuy n ASN 55 Cb 0.40 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.83 2yuy n ASN 55 CO 0.00 0.00 0.00 -2.11 -1.03 0.00 0.00 177.26 174.12 2yuy n ARG 56 N -0.01 0.39 -3.24 -3.83 1.85 -1.26 -5.04 116.66 105.53 2yuy n ARG 56 Ca 0.00 -0.71 -0.39 0.00 -1.00 0.00 0.00 57.85 55.75 2yuy n ARG 56 Cb 0.00 0.40 -0.02 0.00 -1.05 0.00 0.00 32.46 31.79 2yuy n ARG 56 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2yuy n LEU 57 N -0.44 5.42 -4.04 2.89 4.32 -1.26 -5.00 117.00 118.89 2yuy n LEU 57 Ca -0.15 -5.22 -0.08 0.00 -0.02 0.00 0.00 56.01 50.53 2yuy n LEU 57 Cb 0.63 -1.16 -0.10 0.00 -1.62 0.00 0.00 43.42 41.18 2yuy n LEU 57 CO -0.10 1.70 -0.33 -1.61 -1.22 0.00 0.00 177.39 175.82 2yuy s GLU 58 N -2.29 0.54 0.00 3.23 2.02 -1.26 -5.10 118.70 115.84 2yuy s GLU 58 Ca 0.32 -1.01 0.00 0.00 0.02 0.00 0.00 54.97 54.31 2yuy s GLU 58 Cb 0.03 0.19 0.00 0.00 0.10 0.00 0.00 34.13 34.45 2yuy s GLU 58 CO 0.02 -0.11 0.24 -0.35 0.02 0.00 0.00 175.26 175.08 2yuy n PRO 59 N 0.54 0.00 -1.33 0.39 -0.04 -1.26 -5.06 135.00 128.25 2yuy n PRO 59 Ca -0.17 0.43 0.17 0.00 -0.04 0.00 0.00 63.50 63.88 2yuy n PRO 59 Cb 0.59 -1.05 -0.07 0.00 -0.04 0.00 0.00 33.50 32.93 2yuy n PRO 59 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2yuy n MET 60 N -1.78 -2.95 -3.66 0.54 2.81 -1.26 -5.06 117.12 105.75 2yuy n MET 60 Ca 0.00 2.30 -0.04 0.00 -1.81 0.00 0.00 57.70 58.14 2yuy n MET 60 Cb 0.00 -3.49 -0.01 0.00 -0.71 0.00 0.00 33.22 29.00 2yuy n MET 60 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 2yuy s ASP 61 N -7.04 -0.22 1.03 7.83 1.47 -1.26 -5.01 116.67 113.47 2yuy s ASP 61 Ca 0.00 -0.24 -0.12 0.00 1.18 0.00 0.00 52.55 53.37 2yuy s ASP 61 Cb 0.00 0.41 0.21 0.00 -0.34 0.00 0.00 42.92 43.20 2yuy s ASP 61 CO 0.00 -0.73 1.08 -0.89 0.68 0.00 0.00 175.17 175.31 2yuy s THR 62 N -3.12 2.14 -0.54 2.11 2.01 -1.26 -4.84 115.64 112.15 2yuy s THR 62 Ca 0.10 0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.14 2yuy s THR 62 Cb -0.01 -2.16 0.14 0.00 0.01 0.00 0.00 72.50 70.49 2yuy s THR 62 CO -0.02 -0.06 0.33 -0.63 -0.69 0.00 0.00 174.62 173.54 2yuy s ILE 63 N -2.60 3.33 0.15 1.82 1.09 -1.26 -4.93 121.20 118.80 2yuy s ILE 63 Ca 0.67 -2.76 -0.12 0.00 -1.10 0.00 0.00 60.65 57.34 2yuy s ILE 63 Cb -0.23 -3.23 -0.07 0.00 -1.06 0.00 0.00 42.46 37.87 2yuy s ILE 63 CO 0.61 -0.80 0.51 -0.36 -0.10 0.00 0.00 174.94 174.80 2yuy s PHE 64 N 0.26 3.55 0.40 3.97 0.08 -1.26 -1.74 117.98 123.24 2yuy s PHE 64 Ca 0.14 0.93 -0.24 0.00 0.12 0.00 0.00 56.93 57.89 2yuy s PHE 64 Cb -0.22 -2.28 -0.09 0.00 -0.57 0.00 0.00 43.02 39.86 2yuy s PHE 64 CO -0.03 0.40 1.09 0.08 -0.10 0.00 0.00 175.22 176.66 2yuy s VAL 65 N -1.55 3.53 -0.27 -0.44 1.01 -1.12 -2.83 120.40 118.73 2yuy s VAL 65 Ca 0.39 1.20 -0.10 0.00 0.00 0.00 0.00 61.98 63.47 2yuy s VAL 65 Cb -0.14 -3.64 -0.13 0.00 0.00 0.00 0.00 36.38 32.47 2yuy s VAL 65 CO 0.20 0.04 -0.32 1.17 0.00 0.00 0.00 175.10 176.19 2yuy n LYS 66 N -0.04 0.60 -3.89 2.72 0.00 -0.62 -3.61 118.16 113.33 2yuy n LYS 66 Ca 0.05 0.24 -0.08 0.00 0.00 0.00 0.00 58.31 58.52 2yuy n LYS 66 Cb 0.49 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 34.00 2yuy n LYS 66 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2yuy s GLN 67 N -2.51 1.85 -0.12 1.64 -0.21 -1.26 -4.91 119.66 114.14 2yuy s GLN 67 Ca -0.38 -1.18 -0.02 0.00 0.02 0.00 0.00 55.36 53.81 2yuy s GLN 67 Cb 0.13 0.58 0.04 0.00 1.00 0.00 0.00 33.01 34.76 2yuy s GLN 67 CO 0.52 -0.84 -0.00 0.08 -2.12 0.00 0.00 175.29 172.93 2yuy s VAL 68 N -3.53 0.54 0.67 1.09 1.01 -1.26 -3.17 120.40 115.75 2yuy s VAL 68 Ca 0.15 -0.17 -0.18 0.00 0.00 0.00 0.00 61.98 61.79 2yuy s VAL 68 Cb -0.05 -0.78 -0.14 0.00 0.00 0.00 0.00 36.38 35.41 2yuy s VAL 68 CO 0.09 0.13 -0.28 1.17 0.00 0.00 0.00 175.10 176.21 2yuy n LYS 69 N 5.08 0.03 -3.00 2.72 0.00 -1.26 -4.82 118.16 116.91 2yuy n LYS 69 Ca -0.09 0.01 -0.44 0.00 0.00 0.00 0.00 58.31 57.80 2yuy n LYS 69 Cb 0.49 -1.07 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2yuy n LYS 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2yuy n GLU 70 N 1.62 3.89 0.00 1.64 2.13 -1.26 -4.11 120.64 124.55 2yuy n GLU 70 Ca 0.05 -4.26 0.00 0.00 0.66 0.00 0.00 57.16 53.61 2yuy n GLU 70 Cb 0.50 -2.67 0.00 0.00 0.27 0.00 0.00 31.44 29.54 2yuy n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2yuy n GLY 71 N 2.39 1.76 0.00 8.31 0.00 -1.26 -5.14 105.19 111.25 2yuy n GLY 71 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.31 2yuy n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yuy n GLY 72 N -0.33 2.96 0.03 -0.02 0.00 -1.26 -4.99 105.19 101.58 2yuy n GLY 72 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 2yuy n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yuy h PRO 73 N 0.00 -0.06 -0.84 1.61 0.13 -1.93 -3.11 132.00 127.80 2yuy h PRO 73 Ca 0.00 0.00 0.21 0.00 -0.87 0.00 0.00 66.00 65.34 2yuy h PRO 73 Cb 0.00 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 31.02 2yuy h PRO 73 CO 0.00 -0.04 0.24 0.00 -0.23 0.00 0.00 178.00 177.97 2yuy h ALA 74 N -1.83 1.20 -0.90 -0.56 0.00 -1.92 1.01 119.26 116.25 2yuy h ALA 74 Ca -0.01 0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.32 2yuy h ALA 74 Cb 0.05 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2yuy h ALA 74 CO 0.01 -0.40 0.61 0.35 0.00 0.00 0.00 179.25 179.82 2yuy h PHE 75 N 0.26 0.37 0.00 0.00 3.57 -1.78 -1.59 116.94 117.78 2yuy h PHE 75 Ca 0.51 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.00 2yuy h PHE 75 Cb 0.97 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 2yuy h PHE 75 CO -0.24 0.09 -0.14 0.93 -2.23 0.00 0.00 178.31 176.71 2yuy h GLU 76 N 0.27 0.00 -1.87 1.11 4.39 0.10 -3.30 114.58 115.29 2yuy h GLU 76 Ca 0.46 0.00 0.55 0.00 0.34 0.00 0.00 59.36 60.71 2yuy h GLU 76 Cb 1.36 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 29.93 2yuy h GLU 76 CO -0.13 0.46 1.33 0.00 -1.16 0.00 0.00 179.01 179.51 2yuy n ALA 77 N -2.84 1.80 0.00 3.43 0.00 -0.08 -4.65 120.51 118.18 2yuy n ALA 77 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 53.44 54.04 2yuy n ALA 77 Cb 0.26 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.60 2yuy n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2yuy n GLY 78 N -1.85 0.98 2.64 0.00 0.00 -0.69 -4.83 105.19 101.44 2yuy n GLY 78 Ca 0.43 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.30 2yuy n GLY 78 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2yuy n LEU 79 N 0.00 0.00 0.00 0.99 7.94 -0.68 -5.02 117.00 120.23 2yuy n LEU 79 Ca 0.00 -0.45 0.00 0.00 -1.11 0.00 0.00 56.01 54.45 2yuy n LEU 79 Cb 0.00 -0.69 0.00 0.00 0.53 0.00 0.00 43.42 43.26 2yuy n LEU 79 CO 0.00 -2.35 0.00 0.00 -1.11 0.00 0.00 177.39 173.93 2yuy s THR 81 N -2.59 4.79 0.00 0.00 -4.23 -1.26 -4.41 115.64 107.94 2yuy s THR 81 Ca 0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2yuy s THR 81 Cb 0.00 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.70 2yuy s THR 81 CO 0.00 0.49 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 2yuy n GLY 82 N 3.28 3.10 3.67 3.99 0.00 -1.24 -4.98 105.19 113.00 2yuy n GLY 82 Ca -0.17 -0.99 -0.50 0.00 0.00 0.00 0.00 46.02 44.36 2yuy n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yuy n ASP 83 N 0.59 2.86 -4.90 1.61 8.00 -1.26 -4.32 116.55 119.13 2yuy n ASP 83 Ca 0.00 1.05 -0.32 0.00 0.71 0.00 0.00 54.79 56.22 2yuy n ASP 83 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.74 2yuy n ASP 83 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2yuy s ARG 84 N 2.55 3.57 0.01 -1.24 1.70 -1.26 -2.80 118.95 121.47 2yuy s ARG 84 Ca 0.89 -0.17 -0.27 0.00 -0.47 0.00 0.00 55.73 55.70 2yuy s ARG 84 Cb -0.81 -2.96 -0.04 0.00 -0.57 0.00 0.00 34.95 30.57 2yuy s ARG 84 CO 0.50 0.55 0.86 0.42 -1.08 0.00 0.00 175.30 176.56 2yuy s ILE 85 N -1.52 4.83 -0.08 4.99 1.09 -0.71 -3.97 121.20 125.83 2yuy s ILE 85 Ca 0.36 1.82 0.05 0.00 -1.10 0.00 0.00 60.65 61.78 2yuy s ILE 85 Cb -0.13 -4.21 -0.09 0.00 -1.06 0.00 0.00 42.46 36.98 2yuy s ILE 85 CO 0.23 0.25 -0.01 2.30 -0.10 0.00 0.00 174.94 177.61 2yuy n ILE 86 N 3.49 0.54 -3.93 2.92 -5.35 0.50 -4.59 119.36 112.95 2yuy n ILE 86 Ca 0.02 -0.30 -0.10 0.00 -0.27 0.00 0.00 62.75 62.10 2yuy n ILE 86 Cb 0.51 -0.81 -0.10 0.00 -1.74 0.00 0.00 39.64 37.49 2yuy n ILE 86 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 2yuy s LYS 87 N -2.19 0.40 -0.04 6.28 3.01 -1.16 -3.88 119.74 122.17 2yuy s LYS 87 Ca -0.07 -0.51 0.01 0.00 -1.01 0.00 0.00 55.97 54.39 2yuy s LYS 87 Cb 0.03 0.16 0.02 0.00 -1.01 0.00 0.00 37.83 37.03 2yuy s LYS 87 CO 0.29 -0.08 -0.02 0.08 0.51 0.00 0.00 175.35 176.13 2yuy s VAL 88 N -1.46 0.33 -1.16 3.17 1.01 -1.26 -0.49 120.40 120.55 2yuy s VAL 88 Ca -0.15 0.00 -0.10 0.00 0.00 0.00 0.00 61.98 61.74 2yuy s VAL 88 Cb -0.09 -0.40 0.10 0.00 0.00 0.00 0.00 36.38 35.99 2yuy s VAL 88 CO 0.00 0.18 0.24 -0.46 0.00 0.00 0.00 175.10 175.06 2yuy n ASN 89 N 4.14 -0.47 -4.17 3.32 0.23 0.14 0.20 115.26 118.66 2yuy n ASN 89 Ca -0.25 -0.83 -0.32 0.00 -0.53 0.00 0.00 54.58 52.65 2yuy n ASN 89 Cb 0.51 -1.05 -0.06 0.00 -2.08 0.00 0.00 39.78 37.09 2yuy n ASN 89 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2yuy n GLY 90 N -1.34 -0.28 0.02 4.83 0.00 -1.26 -4.83 105.19 102.33 2yuy n GLY 90 Ca -0.04 0.21 0.02 0.00 0.00 0.00 0.00 46.02 46.21 2yuy n GLY 90 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yuy n GLU 91 N -4.60 0.98 -0.69 1.61 0.00 0.54 -5.10 120.64 113.38 2yuy n GLU 91 Ca -0.29 -0.08 0.00 0.00 0.00 0.00 0.00 57.16 56.80 2yuy n GLU 91 Cb 0.67 -1.30 0.00 0.00 0.00 0.00 0.00 31.44 30.81 2yuy n GLU 91 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 2yuy n SER 92 N -2.12 -1.47 -2.79 4.31 7.64 -1.26 -4.99 113.62 112.95 2yuy n SER 92 Ca -0.08 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 2yuy n SER 92 Cb 0.52 -0.73 0.00 0.00 -1.01 0.00 0.00 64.21 63.00 2yuy n SER 92 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2yuy n VAL 93 N 0.80 1.05 0.04 0.44 0.24 -1.25 -4.80 118.33 114.85 2yuy n VAL 93 Ca 0.00 -3.92 -0.20 0.00 -2.04 0.00 0.00 64.34 58.18 2yuy n VAL 93 Cb 0.00 -0.02 -0.14 0.00 -1.47 0.00 0.00 33.84 32.21 2yuy n VAL 93 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 2yuy h ILE 94 N 2.42 0.84 0.00 1.34 1.08 -1.96 -3.38 117.51 117.85 2yuy h ILE 94 Ca 0.03 -2.51 -0.05 0.00 -0.39 0.00 0.00 64.86 61.94 2yuy h ILE 94 Cb 1.04 2.64 -0.12 0.00 -3.07 0.00 0.00 36.82 37.31 2yuy h ILE 94 CO 0.58 0.84 -0.64 0.61 -0.69 0.00 0.00 178.15 178.85 2yuy n GLY 95 N 1.86 3.82 3.90 5.37 0.00 -1.26 -5.05 105.19 113.82 2yuy n GLY 95 Ca -0.26 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 2yuy n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yuy s LYS 96 N -2.20 3.61 0.61 1.61 1.02 -1.26 -5.10 119.74 118.03 2yuy s LYS 96 Ca 0.36 -0.09 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 2yuy s LYS 96 Cb 0.37 -2.88 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 2yuy s LYS 96 CO -0.09 0.49 0.91 -0.08 -0.92 0.00 0.00 175.35 175.66 2yuy s THR 97 N -1.61 3.33 0.05 2.17 -1.32 -1.26 -4.84 115.64 112.16 2yuy s THR 97 Ca 0.39 -0.11 -0.22 0.00 -1.21 0.00 0.00 61.69 60.54 2yuy s THR 97 Cb -0.12 -3.33 -0.10 0.00 -1.51 0.00 0.00 72.50 67.43 2yuy s THR 97 CO 0.24 -0.34 1.34 0.22 -2.21 0.00 0.00 174.62 173.87 2yuy h TYR 98 N -0.22 -0.86 -1.43 9.09 3.20 -1.88 0.15 116.97 125.02 2yuy h TYR 98 Ca -0.45 0.01 0.42 0.00 3.14 0.00 0.00 58.73 61.84 2yuy h TYR 98 Cb 1.27 0.34 -0.07 0.00 1.54 0.00 0.00 36.73 39.81 2yuy h TYR 98 CO 0.44 -0.41 1.02 1.03 -1.64 0.00 0.00 178.16 178.60 2yuy h SER 99 N -0.61 0.04 0.00 -2.11 0.87 -1.95 1.04 113.55 110.83 2yuy h SER 99 Ca -0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2yuy h SER 99 Cb 0.53 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2yuy h SER 99 CO -0.05 -0.01 0.00 0.00 -0.53 0.00 0.00 176.83 176.25 2yuy n GLN 100 N -4.16 0.00 -0.23 2.24 1.13 -0.45 -2.79 117.38 113.11 2yuy n GLN 100 Ca 0.32 0.45 0.30 0.00 -1.94 0.00 0.00 57.00 56.13 2yuy n GLN 100 Cb 1.48 -1.13 0.72 0.00 0.11 0.00 0.00 30.24 31.41 2yuy n GLN 100 CO 0.00 0.00 0.00 -0.39 -1.44 0.00 0.00 177.06 175.23 2yuy h VAL 101 N 0.00 0.51 -0.36 5.09 -1.51 0.16 0.42 116.25 120.55 2yuy h VAL 101 Ca 0.00 -0.01 0.04 0.00 -1.23 0.00 0.00 66.70 65.50 2yuy h VAL 101 Cb 0.00 0.47 -0.04 0.00 -2.13 0.00 0.00 31.29 29.59 2yuy h VAL 101 CO 0.00 0.01 0.11 0.40 -1.23 0.00 0.00 177.57 176.86 2yuy h ILE 102 N 0.03 0.88 -0.68 7.19 1.08 0.10 -0.48 117.51 125.64 2yuy h ILE 102 Ca 0.48 -0.09 -0.02 0.00 -0.39 0.00 0.00 64.86 64.84 2yuy h ILE 102 Cb 1.87 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.18 2yuy h ILE 102 CO -0.02 0.05 0.35 0.00 -0.69 0.00 0.00 178.15 177.83 2yuy h ALA 103 N 1.24 1.33 -0.06 1.87 0.00 0.00 0.14 119.26 123.78 2yuy h ALA 103 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2yuy h ALA 103 Cb 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2yuy h ALA 103 CO -0.18 0.53 0.05 -0.07 0.00 0.00 0.00 179.25 179.58 2yuy h LEU 104 N 0.96 0.00 0.12 0.00 3.38 -0.72 0.89 115.31 119.94 2yuy h LEU 104 Ca 0.24 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.98 2yuy h LEU 104 Cb 0.06 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.82 2yuy h LEU 104 CO -0.04 0.00 -1.11 0.40 0.09 0.00 0.00 178.44 177.78 2yuy h ILE 105 N 0.00 1.25 0.00 1.22 2.04 0.04 -1.85 117.51 120.22 2yuy h ILE 105 Ca 0.03 -2.45 -0.04 0.00 1.00 0.00 0.00 64.86 63.39 2yuy h ILE 105 Cb 0.12 2.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 2yuy h ILE 105 CO -0.00 0.69 -0.21 1.56 0.00 0.00 0.00 178.15 180.19 2yuy h GLN 106 N -0.38 0.00 -0.64 2.37 4.20 0.02 -0.71 115.11 119.97 2yuy h GLN 106 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 2yuy h GLN 106 Cb 1.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.45 2yuy h GLN 106 CO 0.09 0.21 0.00 0.09 -0.67 0.00 0.00 178.83 178.55 2yuy n ASN 107 N -4.16 3.99 0.33 1.46 3.02 0.30 -4.41 115.26 115.80 2yuy n ASN 107 Ca -0.02 -2.13 0.16 0.00 -0.03 0.00 0.00 54.58 52.56 2yuy n ASN 107 Cb 0.28 -0.47 0.85 0.00 -0.61 0.00 0.00 39.78 39.83 2yuy n ASN 107 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2yuy h SER 108 N 3.83 0.00 0.00 6.41 4.64 -0.23 -3.47 113.55 124.73 2yuy h SER 108 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2yuy h SER 108 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2yuy h SER 108 CO 0.06 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.35 2yuy n ASP 109 N -2.92 0.00 -0.05 4.97 2.03 -1.26 -3.96 116.55 115.36 2yuy n ASP 109 Ca -0.02 0.00 -0.08 0.00 0.52 0.00 0.00 54.79 55.21 2yuy n ASP 109 Cb 0.36 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.74 2yuy n ASP 109 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2yuy h THR 110 N 0.00 0.59 -0.53 5.18 2.02 -1.96 -3.42 112.91 114.79 2yuy h THR 110 Ca 0.00 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 66.59 2yuy h THR 110 Cb 0.00 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 66.95 2yuy h THR 110 CO 0.00 0.00 -0.30 0.42 0.37 0.00 0.00 175.52 176.01 2yuy s THR 111 N -6.16 1.62 -0.26 3.16 -4.23 -1.25 -0.67 115.64 107.84 2yuy s THR 111 Ca -0.14 -1.49 -0.02 0.00 -1.18 0.00 0.00 61.69 58.86 2yuy s THR 111 Cb 0.12 -2.11 0.14 0.00 1.34 0.00 0.00 72.50 71.99 2yuy s THR 111 CO 0.69 0.00 0.41 -0.22 -0.54 0.00 0.00 174.62 174.96 2yuy s LEU 112 N -4.29 -0.76 -0.10 4.79 1.98 0.11 -4.57 118.68 115.84 2yuy s LEU 112 Ca 0.34 0.27 -0.16 0.00 -2.89 0.00 0.00 54.13 51.68 2yuy s LEU 112 Cb -0.02 1.28 -0.05 0.00 0.66 0.00 0.00 46.19 48.06 2yuy s LEU 112 CO 0.21 -0.30 0.41 -0.70 -1.89 0.00 0.00 176.35 174.08 2yuy s GLU 113 N 2.59 4.20 0.30 1.98 2.12 -1.26 0.16 118.70 128.79 2yuy s GLU 113 Ca 0.14 0.35 0.04 0.00 0.36 0.00 0.00 54.97 55.85 2yuy s GLU 113 Cb -0.15 -3.37 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 2yuy s GLU 113 CO -0.18 0.33 0.04 -0.51 -0.54 0.00 0.00 175.26 174.40 2yuy s LEU 114 N 0.10 2.18 -0.07 2.70 1.43 0.28 0.28 118.68 125.58 2yuy s LEU 114 Ca 0.23 -1.33 -0.03 0.00 -1.03 0.00 0.00 54.13 51.97 2yuy s LEU 114 Cb -0.15 -0.36 0.04 0.00 0.03 0.00 0.00 46.19 45.75 2yuy s LEU 114 CO 0.10 -0.57 0.15 -0.55 0.23 0.00 0.00 176.35 175.71 2yuy s SER 115 N -3.44 0.12 0.00 2.29 0.15 0.36 0.88 113.70 114.06 2yuy s SER 115 Ca 0.34 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.30 2yuy s SER 115 Cb 0.08 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 2yuy s SER 115 CO 0.14 -0.17 0.00 1.33 1.20 0.00 0.00 173.24 175.73 2yuy n VAL 116 N 4.51 0.00 -3.45 4.45 0.24 -0.82 0.19 118.33 123.44 2yuy n VAL 116 Ca -0.21 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.81 2yuy n VAL 116 Cb 0.51 -0.08 -0.12 0.00 -1.47 0.00 0.00 33.84 32.68 2yuy n VAL 116 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2yuy s MET 117 N -1.66 0.63 0.92 7.34 -1.94 -1.25 -3.45 119.30 119.90 2yuy s MET 117 Ca 0.00 -1.50 -0.13 0.00 -1.71 0.00 0.00 55.69 52.35 2yuy s MET 117 Cb 0.00 -1.34 0.15 0.00 2.01 0.00 0.00 34.83 35.65 2yuy s MET 117 CO 0.00 -1.25 1.14 -1.25 -0.01 0.00 0.00 175.02 173.66 2yuy s PRO 118 N 0.85 1.04 0.00 2.03 0.04 -1.26 -4.90 135.00 132.79 2yuy s PRO 118 Ca 0.21 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2yuy s PRO 118 Cb -0.17 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.54 2yuy s PRO 118 CO -0.03 -2.26 0.00 1.17 0.04 0.00 0.00 177.00 175.92 2yuy n LYS 119 N -3.80 0.00 -3.99 4.56 4.81 -1.26 -5.09 118.16 113.39 2yuy n LYS 119 Ca 0.07 0.00 -0.31 0.00 -0.87 0.00 0.00 58.31 57.20 2yuy n LYS 119 Cb 0.59 0.00 -0.15 0.00 0.02 0.00 0.00 35.03 35.49 2yuy n LYS 119 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2yuy s ASP 120 N 0.61 4.30 0.49 3.14 -1.08 -1.26 -5.11 116.67 117.75 2yuy s ASP 120 Ca 0.00 -1.51 0.01 0.00 -0.52 0.00 0.00 52.55 50.53 2yuy s ASP 120 Cb 0.00 -1.40 0.01 0.00 -1.46 0.00 0.00 42.92 40.07 2yuy s ASP 120 CO 0.00 -0.26 0.71 -0.55 0.52 0.00 0.00 175.17 175.58 2yuy s SER 121 N 1.19 5.57 0.00 -0.34 0.15 -1.26 -5.05 113.70 113.96 2yuy s SER 121 Ca -0.02 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2yuy s SER 121 Cb -0.19 -1.18 0.00 0.00 -1.71 0.00 0.00 66.02 62.94 2yuy s SER 121 CO -0.07 -0.89 0.00 0.61 1.20 0.00 0.00 173.24 174.08 2yuy n GLY 122 N -2.17 3.63 2.91 9.45 0.00 -1.26 -4.94 105.19 112.80 2yuy n GLY 122 Ca 0.05 -1.72 -0.42 0.00 0.00 0.00 0.00 46.02 43.92 2yuy n GLY 122 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yuy n PRO 123 N -1.76 2.16 -1.03 1.61 -0.04 -1.26 -4.94 135.00 129.74 2yuy n PRO 123 Ca 0.00 -2.19 -0.34 0.00 -0.04 0.00 0.00 63.50 60.93 2yuy n PRO 123 Cb 0.00 -3.08 0.11 0.00 -0.04 0.00 0.00 33.50 30.48 2yuy n PRO 123 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yuy n SER 124 N 6.75 -0.88 -4.82 3.54 2.88 -1.26 -4.95 113.62 114.87 2yuy n SER 124 Ca 0.51 0.49 -0.35 0.00 -1.33 0.00 0.00 58.87 58.18 2yuy n SER 124 Cb 0.39 -1.30 -0.06 0.00 -0.75 0.00 0.00 64.21 62.49 2yuy n SER 124 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2yuy s SER 125 N -1.87 7.04 0.00 -3.46 0.01 -1.26 -5.29 113.70 108.87 2yuy s SER 125 Ca 0.64 1.45 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2yuy s SER 125 Cb -0.28 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2yuy s SER 125 CO 0.60 -0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.82